计算机仿真金属和合金设计

纯金属通常太软,无法满足严苛的工业应用要求。不过它们可以与其他金属结合,以创造更耐用的合金化合物。Materials Studio 通过计算机仿真,不仅能设计出满足特定性能标准的新合金,还能预测其高度复杂的相行为。这在设计用于增材制造的新材料时尤为重要。在平床烧结的固结过程中形成的微观结构对于粉末床的特定条件非常敏感。而微观结构反过来又对打印零部件的性能有很大影响。计算机仿真方法助力研究人员探索广阔的化学空间,以发现新型高性能合金和了解现有合金的性能。

强强联合

BIOVIA Materials StudioBIOVIA Pipeline Pilot 相结合,提供了多种方法来识别稳定的多组分合金成分,并预测其相应的材料属性。

  • 拟合 CALPHAD 数据库并生成:
    • 相图
    • 使用相场仿真的固结
  • 计算 SIMULIA 和其他达索系统工具运行仿真所需的属性,例如代表性体积元 (RVE) 模型的均质化

 

合金

  • 根据多组分合金的成分,提出稳定的晶格结构
  • 在 CASTEP 中基于量子力学方法计算合金的材料属性,例如机械和弹性属性、弹性系数、弹性模量、热属性、热导率、热膨胀、热容、电气属性、磁矩 
  • 评估合金表面和涂层之间的分子相互作用
  • 构建多组分合金的团簇扩展,并计算其属性以筛选各种合金构型

探索我们的方法

金属和合金行业瞬息万变。了解如何利用 BIOVIA 保持领先

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